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Records 3961 to 3980 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50394861 BDB-kin50394880.mol2, BDB-kin50394880.pdbqt 302,92 124,2 -4,268 394,438 1,3717 10 2 0 1,2214 0,391281168880955
50394862 BDB-kin50394881.mol2, BDB-kin50394881.pdbqt 316,08 132,99 -3,962 396,454 0,9666 10 3 0 -0,2418 0,330514707222187
50394863 BDB-kin50394882.mol2, BDB-kin50394882.pdbqt 277,1 120,96 -4,177 353,385 1,5333 9 2 0 -1,2354 0,284250171014724
50394864 BDB-kin50394883.mol2, BDB-kin50394883.pdbqt 261,19 131,96 -4,049 339,358 1,1054 9 3 0 -0,9553 0,305897166422551
50394865 BDB-kin50394884.mol2, BDB-kin50394884.pdbqt 263,34 120,96 -4,183 339,358 1,6327 9 2 0 -0,92606 0,300317901151331
50394866 BDB-kin50394885.mol2, BDB-kin50394885.pdbqt 253,34 111,73 -4,509 323,359 2,0466 8 2 0 -0,92606 0,287967964565075
50394867 BDB-kin50394886.mol2, BDB-kin50394886.pdbqt 259,71 111,73 -4,999 388,228 2,4279 8 2 0 -2,7161 0,206624082841288
50394868 BDB-kin50394887.mol2, BDB-kin50394887.pdbqt 256,5 111,73 -4,901 343,777 2,3087 8 2 0 -0,80603 0,270545654295889
50394869 BDB-kin50394888.mol2, BDB-kin50394888.pdbqt 241,08 111,73 -2,572 309,332 1,0056 8 2 0 -0,92606 0,582168511535524
50394870 BDB-kin50394889.mol2, BDB-kin50394889.pdbqt 239,84 124,62 -3,062 310,32 0,7928 9 2 0 -0,92606 0,341554738288228
50394871 BDB-kin50394890.mol2, BDB-kin50394890.pdbqt 239,84 124,62 -3,956 310,32 1,1404 9 2 0 -0,92606 0,316086849038812
50394872 BDB-kin50394891.mol2, BDB-kin50394891.pdbqt 241,08 111,73 -3,332 309,332 1,4423 8 2 0 -0,92606 0,333542089221818
50394873 BDB-kin50394892.mol2, BDB-kin50394892.pdbqt 241,08 111,73 -3,64 309,332 1,3513 8 2 0 -0,92606 0,325678612675738
50394874 BDB-kin50396294.mol2, BDB-kin50396294.pdbqt 242,32 98,84 -4,435 308,344 2,3522 7 2 0 -0,92606 0,291016294285131
50394875 BDB-kin50396295.mol2, BDB-kin50396295.pdbqt 227,65 96,95 -4,117 293,329 2,4719 6 3 0 -1,0108 0,50065350667053
50394876 BDB-kin50396296.mol2, BDB-kin50396296.pdbqt 252,18 102,94 -4,643 323,359 0,7277 8 1 0 0,53447 0,365117471735557
50394877 BDB-kin50396297.mol2, BDB-kin50396297.pdbqt 244,01 89,71 -5,657 317,351 2,7222 6 2 0 -0,8349 0,3955982209285
50394878 BDB-kin50396298.mol2, BDB-kin50396298.pdbqt 258,64 108,06 -4,319 342,365 1,6648 8 3 0 2,9559 0,447120022012899
50394879 BDB-kin50396299.mol2, BDB-kin50396299.pdbqt 244,47 101,5 -4,502 319,327 1,8905 8 2 0 -0,066749 0,160825581620979
50394880 BDB-kin50396300.mol2, BDB-kin50396300.pdbqt 246,38 108,06 -4,828 328,338 1,8205 8 3 0 3,1561 0,201235425195908
These data are only available for scientific research purposes.